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{
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"results": [
{
"id": "jvasp-44474",
"created_at": "2022-09-04T14:36:56.333353Z",
"updated_at": "2022-09-04T14:36:56.333371Z",
"structure_string": "Li4 Ni4 Bi2 O12\n1.0\n5.345840 0.038443 0.000000\n2.692600 4.679543 0.000000\n0.000000 0.000000 9.961409\nLi Ni Bi O\n4 4 2 12\ndirect\n0.500000 0.151127 0.750000 Li\n0.500000 0.348872 0.250000 Li\n0.500000 0.651127 0.750000 Li\n0.500000 0.848872 0.250000 Li\n0.328074 0.335963 0.000000 Ni\n0.328074 0.835963 0.500000 Ni\n0.671927 0.164036 0.500000 Ni\n0.671927 0.664036 0.000000 Ni\n0.000000 0.000000 0.000000 Bi\n0.000000 0.500000 0.500000 Bi\n0.623747 0.344230 0.888799 O\n0.623746 0.032024 0.111201 O\n0.376254 0.655769 0.111201 O\n0.376254 0.467975 0.611201 O\n0.376254 0.155769 0.388799 O\n0.000000 0.136038 0.599969 O\n0.376254 0.967975 0.888799 O\n0.000000 0.636038 0.900031 O\n0.000000 0.363961 0.099969 O\n0.623747 0.532023 0.388799 O\n0.000000 0.863961 0.400031 O\n0.623747 0.844230 0.611201 O\n",
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"density": 5.838089317929019,
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"formula_full": "Li4 Ni4 Bi2 O12",
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{
"id": "jvasp-55819",
"created_at": "2022-09-04T14:38:03.423775Z",
"updated_at": "2022-09-04T14:38:03.423791Z",
"structure_string": "Dy4 V4 O12\n1.0\n5.261389 0.000000 0.000000\n-0.000000 5.640561 0.000000\n0.000000 0.000000 7.602087\nDy V O\n4 4 12\ndirect\n0.020044 0.070960 0.750000 Dy\n0.520044 0.429039 0.250000 Dy\n0.479956 0.570960 0.750000 Dy\n0.979956 0.929039 0.250000 Dy\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.612027 0.960369 0.750000 O\n0.112027 0.539630 0.250000 O\n0.690432 0.696253 0.056086 O\n0.190431 0.803747 0.943915 O\n0.809569 0.196253 0.443915 O\n0.190431 0.803747 0.556086 O\n0.309569 0.303747 0.943915 O\n0.809569 0.196253 0.056086 O\n0.387974 0.039630 0.250000 O\n0.690432 0.696253 0.443915 O\n0.309569 0.303747 0.556086 O\n0.887974 0.460369 0.750000 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 7.697063635042715,
"density_atomic": 0.08864912380354444,
"volume": 225.608546840486,
"volume_molar": 6.793232128662299,
"formula_full": "Dy4 V4 O12",
"formula_reduced": "DyVO3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-43740",
"created_at": "2022-09-04T14:35:49.780807Z",
"updated_at": "2022-09-04T14:35:49.780831Z",
"structure_string": "Li2 Fe2 F6\n1.0\n0.000000 3.955442 0.043996\n5.423446 0.000000 0.000000\n0.000000 -1.904111 -5.279752\nLi Fe F\n2 2 6\ndirect\n0.807437 0.250000 0.428075 Li\n0.192562 0.750001 0.571923 Li\n0.993569 0.750001 0.004965 Fe\n0.006430 0.250000 -0.004965 Fe\n0.464732 0.750001 0.939136 F\n0.133997 0.996093 0.308808 F\n0.133997 0.503909 0.308808 F\n0.866003 0.496092 0.691191 F\n0.866003 0.003908 0.691191 F\n0.535267 0.250000 0.060863 F\n",
"nsites": 10,
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"elements": [
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"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.5263836513767806,
"density_atomic": 0.08864653646682066,
"volume": 112.80756585163235,
"volume_molar": 6.793430403514993,
"formula_full": "Li2 Fe2 F6",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
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"spacegroup": 11
},
{
"id": "jvasp-111905",
"created_at": "2022-09-04T14:38:54.127680Z",
"updated_at": "2022-09-04T14:38:54.127724Z",
"structure_string": "Mn2 P2 O8 F2\n1.0\n4.800121 0.015249 -1.466286\n-1.116801 4.638549 -1.703681\n0.016163 -0.029373 7.095636\nMn P O F\n2 2 8 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.439761 0.126479 0.764684 P\n0.560239 0.873522 0.235316 P\n0.231539 0.791445 0.120401 O\n0.706278 0.847229 0.068618 O\n0.658026 0.181854 0.412286 O\n0.646174 0.652723 0.333522 O\n0.293721 0.152772 0.931383 O\n0.341973 0.818147 0.587714 O\n0.353825 0.347277 0.666479 O\n0.768460 0.208556 0.879599 O\n0.142425 0.317154 0.270070 F\n0.857575 0.682847 0.729930 F\n",
"nsites": 14,
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"elements": [
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"F"
],
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"density": 3.55191456032565,
"density_atomic": 0.08864652618660603,
"volume": 157.93061050727692,
"volume_molar": 6.793431191339691,
"formula_full": "Mn2 P2 O8 F2",
"formula_reduced": "MnPO4F",
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"spacegroup": 2
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{
"id": "jvasp-90735",
"created_at": "2022-09-04T14:35:51.807904Z",
"updated_at": "2022-09-04T14:35:51.807931Z",
"structure_string": "U2 Ni2 C4\n1.0\n3.505408 0.000000 -0.000000\n0.000000 3.505408 0.000000\n-0.000000 -0.000000 7.344327\nU Ni C\n2 2 4\ndirect\n0.750001 0.750001 0.678763 U\n0.250000 0.250000 0.321237 U\n0.750001 0.250000 0.000000 Ni\n0.250000 0.750001 0.000000 Ni\n0.750001 0.750001 0.164711 C\n0.250000 0.250000 0.835289 C\n0.750001 0.750001 0.361262 C\n0.250000 0.250000 0.638738 C\n",
"nsites": 8,
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"elements": [
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"Ni",
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"density": 11.803426208479625,
"density_atomic": 0.08864634521101199,
"volume": 90.24624738850721,
"volume_molar": 6.793445060442161,
"formula_full": "U2 Ni2 C4",
"formula_reduced": "UNiC2",
"formula_anonymous": "ABC2",
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"spacegroup": 129
},
{
"id": "jvasp-55129",
"created_at": "2022-09-04T14:38:27.066732Z",
"updated_at": "2022-09-04T14:38:27.066771Z",
"structure_string": "Na1 Nb1 O2\n1.0\n3.137233 0.173526 5.242232\n1.580581 2.715530 5.242232\n0.283367 0.173526 6.102699\nNa Nb O\n1 1 2\ndirect\n0.499999 0.500002 0.499999 Na\n0.000000 0.000000 0.000000 Nb\n0.255912 0.255914 0.255912 O\n0.744086 0.744090 0.744086 O\n",
"nsites": 4,
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"elements": [
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"O"
],
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"density": 5.44239385866944,
"density_atomic": 0.08864362727504012,
"volume": 45.12450723151198,
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"formula_full": "Na1 Nb1 O2",
"formula_reduced": "NaNbO2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-50754",
"created_at": "2022-09-04T14:37:30.006043Z",
"updated_at": "2022-09-04T14:37:30.006051Z",
"structure_string": "Li6 Cu2 F10\n1.0\n6.078326 0.329806 -0.721749\n2.993384 5.300423 -0.721749\n-1.079335 -0.669874 6.673755\nLi Cu F\n6 2 10\ndirect\n0.055687 0.447156 0.170653 Li\n0.447146 0.055700 0.670648 Li\n0.511914 0.488087 0.250000 Li\n0.488078 0.511923 0.750000 Li\n0.552844 0.944313 0.329347 Li\n0.944301 0.552855 0.829353 Li\n-0.000002 0.000000 0.500002 Cu\n0.000000 0.000003 -0.000002 Cu\n0.830401 0.169600 0.250000 F\n0.461922 0.769263 0.456909 F\n0.266791 0.083548 0.133793 F\n0.733195 0.916463 0.866201 F\n0.916452 0.733210 0.366207 F\n0.169590 0.830410 0.750000 F\n0.230737 0.538078 0.043091 F\n0.769247 0.461938 0.956915 F\n0.538063 0.230754 0.543086 F\n0.083538 0.266806 0.633800 F\n",
"nsites": 18,
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"elements": [
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"F"
],
"chemical_system": "Cu-F-Li",
"density": 2.9334660866252515,
"density_atomic": 0.08864340467944087,
"volume": 203.06079245368554,
"volume_molar": 6.793670416629112,
"formula_full": "Li6 Cu2 F10",
"formula_reduced": "Li3CuF5",
"formula_anonymous": "AB3C5",
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"spacegroup": 15
},
{
"id": "jvasp-117396",
"created_at": "2022-09-04T14:38:27.294923Z",
"updated_at": "2022-09-04T14:38:27.294943Z",
"structure_string": "Zn2 Cu2 Si4 O12\n1.0\n6.528099 -0.008921 1.888233\n-0.130080 6.526809 1.888233\n-0.028826 -0.029366 5.278862\nZn Cu Si O\n2 2 4 12\ndirect\n0.763046 0.236954 0.749999 Zn\n0.236954 0.763046 0.249999 Zn\n0.895607 0.104393 0.249999 Cu\n0.104393 0.895607 0.749999 Cu\n0.386594 0.216171 0.243415 Si\n0.783829 0.613406 0.256584 Si\n0.216171 0.386594 0.743415 Si\n0.613406 0.783829 0.756584 Si\n0.790575 0.967661 0.634393 O\n0.032338 0.209424 0.865606 O\n0.137518 0.614930 0.626962 O\n0.385069 0.862482 0.873037 O\n0.862482 0.385070 0.373037 O\n0.677321 0.615816 0.011313 O\n0.322679 0.384183 0.988686 O\n0.615816 0.677321 0.511313 O\n0.209424 0.032339 0.365606 O\n0.384184 0.322679 0.488686 O\n0.614930 0.137518 0.126962 O\n0.967661 0.790576 0.134392 O\n",
"nsites": 20,
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"Si",
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],
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"density": 4.137717856773442,
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"volume": 225.6387428312331,
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"formula_full": "Zn2 Cu2 Si4 O12",
"formula_reduced": "ZnCu(SiO3)2",
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"spacegroup": 15
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{
"id": "jvasp-11019",
"created_at": "2022-09-04T14:37:17.735666Z",
"updated_at": "2022-09-04T14:37:17.735687Z",
"structure_string": "Mn4 Zn2 O10\n1.0\n3.465551 0.000000 0.000000\n0.000000 4.505183 0.000000\n0.000000 0.000000 11.562543\nMn Zn O\n4 2 10\ndirect\n0.500000 0.536007 0.350552 Mn\n0.000000 0.463993 0.149448 Mn\n0.000000 0.463993 0.850552 Mn\n0.500000 0.536007 0.649447 Mn\n0.000000 0.045511 0.500000 Zn\n0.500000 0.954488 0.000000 Zn\n0.000000 0.607086 0.000000 O\n0.500000 0.392914 0.500000 O\n0.000000 0.428501 0.322507 O\n0.500000 0.571498 0.177493 O\n0.000000 0.428501 0.677493 O\n0.500000 0.571498 0.822506 O\n0.500000 0.910183 0.614433 O\n0.000000 0.089816 0.885566 O\n0.000000 0.089816 0.114433 O\n0.500000 0.910183 0.385567 O\n",
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"density": 4.696359649187528,
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"spacegroup": 59
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{
"id": "jvasp-74194",
"created_at": "2022-09-04T14:36:07.997411Z",
"updated_at": "2022-09-04T14:36:07.997444Z",
"structure_string": "Be2 Ir1 Pt1\n1.0\n2.829566 0.000000 0.000000\n0.000000 2.829566 0.000000\n-0.000000 0.000000 5.636895\nBe Ir Pt\n2 1 1\ndirect\n0.000000 0.000000 0.766369 Be\n0.000000 0.000000 0.233631 Be\n0.500001 0.500001 0.000000 Ir\n0.500001 0.500001 0.500000 Pt\n",
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"formula_full": "Be2 Ir1 Pt1",
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},
{
"id": "jvasp-68534",
"created_at": "2022-09-04T14:35:49.719846Z",
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"structure_string": "Be2 Cr2 Pt1\n1.0\n-1.610595 1.610595 5.436987\n1.610595 -1.610595 5.436987\n1.610595 1.610595 -5.436987\nBe Cr Pt\n2 2 1\ndirect\n0.591939 0.591939 0.000000 Be\n0.408062 0.408062 0.000000 Be\n0.749999 0.250000 0.499998 Cr\n0.250000 0.749999 0.499998 Cr\n0.000000 0.000000 0.000000 Pt\n",
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},
{
"id": "jvasp-57359",
"created_at": "2022-09-04T14:37:43.750929Z",
"updated_at": "2022-09-04T14:37:43.750958Z",
"structure_string": "Cu2 Mo2 O8\n1.0\n4.713322 -0.055295 -0.065064\n0.314697 4.894441 -0.036330\n0.968310 0.185270 5.850280\nCu Mo O\n2 2 8\ndirect\n0.493019 0.749611 0.158070 Cu\n0.506982 0.250390 0.841931 Cu\n0.969692 0.254388 0.325571 Mo\n0.030308 0.745613 0.674429 Mo\n0.730644 0.904152 0.879077 O\n0.786979 0.427089 0.620052 O\n0.750817 0.429698 0.144221 O\n0.249183 0.570302 0.855780 O\n0.221241 0.047528 0.591119 O\n0.778759 0.952473 0.408882 O\n0.213021 0.572912 0.379949 O\n0.269356 0.095849 0.120923 O\n",
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],
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"density": 5.481560091517289,
"density_atomic": 0.08862590310946324,
"volume": 135.40059484842274,
"volume_molar": 6.795012009707772,
"formula_full": "Cu2 Mo2 O8",
"formula_reduced": "CuMoO4",
"formula_anonymous": "ABC4",
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"spacegroup": 2
}
]
}